Toluene → HCID 11238371, compound
Reaction equation
[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH2:33][CH2:34][N:35]([c:38]2[cH:39][n:40][c:41]([NH2:44])[cH:42][cH:43]2)[CH2:36][CH2:37]1.[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([n:10][c:11]([S:14]([CH3:15])=[O:16])[n:12][cH:13]2)[n:17]([CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24]2)[c:18]1=[O:19].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][CH2:53][O:54][CH2:55][CH3:56]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([n:10][c:11]([NH:44][c:41]3[n:40][cH:39][c:38]([N:35]4[CH2:34][CH2:33][N:32]([C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[CH2:37][CH2:36]4)[cH:43][cH:42]3)[n:12][cH:13]2)[n:17]([CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24]2)[c:18]1=[O:19]Participants
5
Sources & evidence
- ORD record
- ord-e99fff48005146b3aa6c609c58a70fe8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…